Crossmark

In silico evaluation of 4-quinolone ligands interacting with human G protein-coupled receptor kinase 5 (GRK5) using message passing neural networks (MPNNs), molecular docking, and dynamics simulation

Crossref DOI link: https://doi.org/10.1186/s43042-025-00780-x

Published Online: 2025-09-22

Update policy: https://doi.org/10.1007/springer_crossmark_policy

Authors

Anthony, Godswill Imolele https://orcid.org/0000-0002-3093-3309
Ogbozor, Festus Ikechukwu

Atanda, David Ololade

Folaranmi, Isaac Olawale

Eguavoen, Aisosa Endurance

Olaide, Taiwo Hamidat

Nwachukwu, Fortune Udochukwu

Ohilebo, Abass Abdulateef

Okotie, Gloria Enevwo

Adubi, Precious Okhuomon

Ayangoke, Abiodun Onilude

Bodun, Damilola Samuel
License Information

Text and Data Mining valid from 2025-09-22

Version of Record valid from 2025-09-22
More Information

Article History

Received: 31 January 2025

Accepted: 28 August 2025

First Online: 22 September 2025

Declarations

:

: This study does not involve human or animal subjects, and ethical approval was not required.

: All authors consent to the publication of this manuscript.

: The authors declare no conflicts of interest.

Document is current

Any future updates will be listed below